7569adf01638eda2b5dc0183e0f59963 *CHANGELOG
ef62f3345fca6a405d3d7e8c9ddcaf19 *DESCRIPTION
838a9c96ed28af11a1820dfbabe9db00 *NAMESPACE
9e8374699bf7cf3b073d74e73e3c2692 *NEWS
c7a617445493a716f4574ed0870da38e *R/atoms.R
2f05877cc5ae67199f25f21e646075e1 *R/bonds.R
017a4ac6f8f93adae2639255a38dfbe6 *R/desc.R
1cfd5b5d59c38b3f483c3d31e105a60c *R/fingerprint.R
373095eea709d8213b9e1e326bbd4b0c *R/formula.R
2c39c89490d1c0078b2474f142c3943f *R/frags.R
5d99116afe4dc06e8f0f4ae5db2581e7 *R/io.R
0b193e96301db920685409f811732988 *R/iterating.R
9c9455ec2f0f6785a5086d1898b2c5a0 *R/matching.R
233da8d65f27f653fe40cc09621db531 *R/props.R
90fff7b5bd536063ba5b4b9ff8a9c793 *R/rcdk.R
59514b626a79c6cc5512774cf402ab1b *R/smiles.R
8a2df955a26afbdb74bc948d85c41f7b *R/smsd.R
c7e28177c64c238d3aa742e01b09d1a1 *R/visual.R
b1f6b21fe72a0329372d917bfe1935c4 *build/vignette.rds
850547528b8590c5f8e0f2117522dd36 *data/bpdata.RData
84aea4e603ef1c5d0e0dd2844a66f43c *inst/CITATION
326e6cdc7aa3dc6a6aacfcb2289f4d4b *inst/cont/com.objectplanet.image.PngEncoder.jar
cb7511314354b698fba4a60d9ecf3b0a *inst/cont/rcdk.jar
b63d5102a16cfd62265e0b2b0e695054 *inst/doc/rcdk.R
419e665380334de27853cee4550fca30 *inst/doc/rcdk.Rnw
1a18a5c6a89ae207943b6c3c08c6261f *inst/doc/rcdk.pdf
d68b0df8b5914042fb60a6ed424004b2 *inst/unitTests/Makefile
5d1789dc0f3424cb569ed67eb695aa58 *inst/unitTests/runit.atoms.R
29e78d66385e24fb2502c1aab8e4cddb *inst/unitTests/runit.depiction.R
dbfb5794379be67264c80a5f193a6258 *inst/unitTests/runit.frags.R
a0daa5672c69848f27544d5d345aaf2d *inst/unitTests/runit.match.R
ef6bee3f8367ee93b93e7b1e71a4a29e *inst/unitTests/runit.props.R
e1ef62074aa25db961af1546fb2ffb75 *inst/unitTests/runit.rcdk.R
4fd4724c7c496715f642b73d254eb427 *inst/unitTests/runit.smiles.R
7de85252099c9057e30628dddbbe17b9 *inst/unitTests/runit.visual.R
086315ee8b2ade0bf4e67b34d567425b *java/README
413484ece5549cf5f2d800555689d920 *man/atomcontainer.Rd
8218be44092a9b80dea3484563f92c8c *man/atoms.Rd
57a1ffdefa1103ee8568aa6dc0a33ed3 *man/bpdata.Rd
a3fceb904be63a519041ebbd8cbe1def *man/cdkFormula-class.Rd
92849d146a1eb17c087b1d281757f496 *man/cdkversion.Rd
a80d0271d14608a8d10a3e2594c0f3ea *man/evalatomicdesc.Rd
d39448c01dab5e3baab51c885028d91a *man/evaldesc.Rd
5b36bcce3056e386bbe063d5b3edd853 *man/frags.Rd
98d39d8e213b05877306b6ada0124f66 *man/generateformula.Rd
722ae01966d967a43217d4022e06ea92 *man/get2dcoords.Rd
ee3a5713be3c1c69e50ebe9038682625 *man/getatomdescnames.Rd
ee7ad4f0c9312da08e971ab748a9bdb5 *man/getatoms.Rd
468f5e2ee2d733dbc41df281fb414b08 *man/getbonds.Rd
b1598bb517813687c68e0f8aebb1cf17 *man/getconatom.Rd
e48edb9cc35936533d179c0ed5a0fb06 *man/getdesccat.Rd
d576d044e94fcd729267d01d26566c60 *man/getdescnames.Rd
f51a9e2c606e7425a1f9fee29aaf22e6 *man/getformula.Rd
413d6e3f5378e2ff04e77c0b26f4899e *man/getfp.Rd
2af888d33068bccd27490d06e514e1a1 *man/gethcount.Rd
2aaebbd8bef0a24e8925c0499c779563 *man/getisotopepattern.Rd
c68d50d6c6b27024016e817af764ba5b *man/getlargestcomp.Rd
b7003142474268862a59b24cc884f1c4 *man/getmol2formula.Rd
d806a901ed11db1bf0593eb7ec664909 *man/getproperty.Rd
ace272ff2531107823c1418fa0e2a2a7 *man/getprops.Rd
48ea9caab1b902fd4c121aca70567568 *man/getsmiles.Rd
ae397ffdbfc796c81464ea9db9756827 *man/getsmilesparser.Rd
1f2b60e81e1b6a2e4263ce7cc4b5d285 *man/gettotalcharge.Rd
70f66c51b209644791b777cda5eada54 *man/hasNext.Rd
d7547ec8833bfd0220a6ae061e276459 *man/isvalidformula.Rd
514c875ae21e574d8ea3178938342622 *man/loadmol.Rd
bb19dcd3141e52442c7669768c3c317e *man/match.Rd
277fc26426936309d5c5e8dca98bb2ca *man/ops.Rd
92f83b43ac13a2ce41552621870ff48a *man/parsesmiles.Rd
356490c725c85d2480ec9126e4b44b5a *man/props.Rd
682e15e0b92eeb40feb4c7878e069308 *man/removehydrogens.Rd
e4ae58eefd0e3bf58b3f00eec438ed8b *man/removeproperty.Rd
ff7301906f2bb2b3b4ea51ba176fd80c *man/setchargeformula.Rd
94251814ef329b146d4191996167b038 *man/setproperty.Rd
0200994f8934db42bf26500da21ddab4 *man/viewmol2d.Rd
207efa3b725450f9e2fdcc11791d49e5 *man/viewtable.Rd
dc99b056cbc3e4a5a42d6f3a25c34b74 *man/writemols.Rd
dde78ad5a70a13b1bd31371f68a0cd29 *tests/doRUnit.R
419e665380334de27853cee4550fca30 *vignettes/rcdk.Rnw
